Isopropylbenzene

Isopropylbenzene

SCHEMBL9312427

CC(C)c1ccccc1.ClC(Cl)Cl.NC=O

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 1/20 0.45
▸ TSHR P16473 1/20 0.42
▸ TAAR1 Q96RJ0 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ CYP2D6 P10635 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ ALOX5 P09917 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ DPP4 P27487 2/20 0.37
▸ F2 P00734 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Isopropylbenzene SCHEMBL28285501 0.93 TYR (0.50) TYRTAAR1KDM4EADRA2AADRA2C
Isopropylbenzene SCHEMBL6418415 0.86 TSHR (0.55) TSHRTAAR1KDM4EADRA2AADRA2C
Isopropylbenzene SCHEMBL27303816 0.84 TYR (0.50) TYRTSHRTAAR1KDM4EADRA2A
Isopropylbenzene SCHEMBL3646130 0.81 TYR (0.52) TYRTAAR1KDM4EADRA2AADRA2C
Isopropylbenzene SCHEMBL28062049 0.81 TYR (0.52) TYRTAAR1KDM4EADRA2AADRA2C
Formamide SCHEMBL29161087 0.81 TYR (0.64) TYRKDM4ELMNAHIF1ACYP2D6
Isopropylbenzene SCHEMBL28324070 0.79 TYR (0.50) TYRTAAR1KDM4EADRA2AADRA2C
Isopropylbenzene SCHEMBL27707501 0.79 TYR (0.50) TYRKDM4EADRA2AADRA2CLMNA
Isopropylbenzene SCHEMBL27370050 0.78 TAAR1 (0.52) TAAR1KDM4EADRA2AADRA2CLMNA
Isopropylbenzene SCHEMBL27499737 0.78 TAAR1 (0.52) TAAR1KDM4EADRA2AADRA2CLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5292890-A Asymmetrical benzotriazolylphenols FAIRMOUNT CHEMICAL COMPANY, INC. (US) 1994-03-08 — — US disclosed
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